N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

C13H14N4S2 — CID 80614373

IUPACN-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2cc3ccccc3[nH]2)s1
InChIInChI=1S/C13H14N4S2/c1-2-14-13-17-16-12(19-13)8-18-11-7-9-5-3-4-6-10(9)15-11/h3-7,15H,2,8H2,1H3,(H,14,17)
InChIKeyQVQYMXSMWGQPAN-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.74
Rot. Bonds5

About N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614373) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614373
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC NameN-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2cc3ccccc3[nH]2)s1
InChIInChI=1S/C13H14N4S2/c1-2-14-13-17-16-12(19-13)8-18-11-7-9-5-3-4-6-10(9)15-11/h3-7,15H,2,8H2,1H3,(H,14,17)
InChIKeyQVQYMXSMWGQPAN-UHFFFAOYSA-N
XLogP3.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-{[(2-methyl-1H-indol-3-yl)thio]methyl}-4H-1,2,4-triazole-3-thiol
CID 2822093
3-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
CID 2822112
5-(1H-indol-3-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 136232626
5-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 136232627
N-benzyl-5-(1H-indol-3-yl)-1,3,4-thiadiazol-2-amine
CID 136237523
N-benzyl-5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-amine
CID 136237540
5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 654218
N-methyl-5-[3-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68328084
5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 685242
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-2-[(1-propyl-1H-indol-3-YL)sulfanyl]acetamide
CID 4113488
N-(4-{5-[(1H-Indol-2-ylamino)-methyl]-thiophen-2-yl}-thiazol-2-yl)-guanidine
CID 44344353
N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 8963026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (CID 80614373) is N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSc2cc3ccccc3[nH]2)s1.
What is the InChIKey of N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QVQYMXSMWGQPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-2-14-13-17-16-12(19-13)8-18-11-7-9-5-3-4-6-10(9)15-11/h3-7,15H,2,8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 290.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).